N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Chemical Structure Depiction of
N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Compound characteristics
Compound ID: | G952-3428 |
Compound Name: | N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide |
Molecular Weight: | 438.85 |
Molecular Formula: | C19 H11 Cl N6 O3 S |
Smiles: | C(C(Nc1nn2c(c3cccc(c3)[Cl])nnc2s1)=O)N1C(c2ccccc2C1=O)=O |
Stereo: | ACHIRAL |
logP: | 3.1297 |
logD: | 3.1293 |
logSw: | -3.7607 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 86.436 |
InChI Key: | VMKMEQWPOWHHRI-UHFFFAOYSA-N |